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Substance Name: 2QN-Echinomycin
RN: 77196-00-0
InChIKey: FGMKIQADVFUCIT-UHFFFAOYSA-N

Note

  • Both quinoxaline moieties of echinomycin are replaced by quinoline moieties.

Molecular Weight

  • 1099.29
 
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Names and Synonyms

Name of Substance

  • 2QN-Echinomycin

Systematic Name

  • Quinomycin A, 1-(N-(2-quinolinylcarbonyl)-D-serine)-5-(N-(2-quinolinylcarbonyl)-D-serine)-

Registry Numbers

CAS Registry Number

  • 77196-00-0

System Generated Number

  • 0077196000

Structure Descriptors

InChI

1S/C53H66N10O12S2/c1-27(2)40-51(72)74-24-38(59-44(65)36-23-21-32-17-13-15-19-34(32)57-36)46(67)55-30(6)48(69)63(10)42-50(71)62(9)41(28(3)4)52(73)75-25-37(58-43(64)35-22-20-31-16-12-14-18-33(31)56-35)45(66)54-29(5)47(68)60(7)39(49(70)61(40)8)26-77-53(42)76-11/h12-23,27-30,37-42,53H,24-26H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)

InChIKey

FGMKIQADVFUCIT-UHFFFAOYSA-N

Smiles

c1c2c(nc(c1)C(N[C@@H]1C(N[C@@H](C(N([C@@H]3C(N([C@@H](C(=O)OC[C@@H](C(=O)N[C@@H](C(N([C@@H](CS[C@@H]3SC)C(N([C@@H](C(OC1)=O)C(C)C)C)=O)C)=O)C)NC(c1ccc3c(cccc3)n1)=O)C(C)C)C)=O)C)=O)C)=O)=O)cccc2